Information card for entry 4349860

Structure parameters

• Formula: C80 H66 Cl12 Dy2 O14
• Calculated formula: C80 H66 Cl12 Dy2 O14
• SMILES: C[O]1c2cccc3c2[O]2[Dy]4561([O]=C(c1ccccc1)C=C(O6)c1ccccc1)(OC(=CC(=[O]4)c1ccccc1)c1ccccc1)[O]1c4c(cccc4[O]5C)[O](C)[Dy]4521([O]3C)(OC(=CC(=[O]4)c1ccccc1)c1ccccc1)OC(=CC(=[O]5)c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Dramatic impact of the lattice solvent on the dynamic magnetic relaxation of dinuclear dysprosium single-molecule magnets
• Authors of publication: Zhang, Wan-Ying; Zhang, Yi-Quan; Jiang, Shang-Da; Sun, Wen-Bin; Li, Hong-Feng; Wang, Bing-Wu; Chen, Peng; Yan, Peng-Fei; Gao, Song
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 7
• Pages of publication: 1575
• a: 11.7531 ± 0.0009 Å
• b: 13.8438 ± 0.001 Å
• c: 13.9872 ± 0.0007 Å
• α: 102.801 ± 0.006°
• β: 91.679 ± 0.005°
• γ: 108.946 ± 0.007°
• Cell volume: 2086.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No